Information card for entry 4127454

Structure parameters

• Formula: C42 H33 I N3 O2 Rh
• Calculated formula: C42 H33 I N3 O2 Rh
• SMILES: [Rh]12345(c6n(c7nccc[n]17)c1ccccc1c6C)(I)[c]16[cH]3[cH]5[cH]2[c]46Cc2c(OC)cc3c(c2c2c(C1)c(OC)cc1c2cccc1)cccc3
• Title of publication: Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.
• Authors of publication: Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 24
• Pages of publication: 9527 - 9532
• a: 10.0127 ± 0.0002 Å
• b: 13.6575 ± 0.0002 Å
• c: 30.8925 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4224.5 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No